N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

C20H27N7O2S — CID 71053466

IUPACN-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1(N)CCN(c2ccccc2NC(=O)c2csc(N3CC[C@@H](N)C3)n2)CC1
InChIInChI=1S/C20H27N7O2S/c21-13-5-8-27(11-13)19-25-15(12-30-19)17(28)24-14-3-1-2-4-16(14)26-9-6-20(23,7-10-26)18(22)29/h1-4,12-13H,5-11,21,23H2,(H2,22,29)(H,24,28)/t13-/m1/s1
InChIKeyAQUHSHSHGXQGLU-CYBMUJFWSA-N
MW429.55 g/mol
LogP0.72
Rot. Bonds5

About N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71053466) has the molecular formula C20H27N7O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID71053466
Molecular FormulaC20H27N7O2S
Molecular Weight429.55 g/mol
Exact Mass429.19
IUPAC NameN-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1(N)CCN(c2ccccc2NC(=O)c2csc(N3CC[C@@H](N)C3)n2)CC1
InChIInChI=1S/C20H27N7O2S/c21-13-5-8-27(11-13)19-25-15(12-30-19)17(28)24-14-3-1-2-4-16(14)26-9-6-20(23,7-10-26)18(22)29/h1-4,12-13H,5-11,21,23H2,(H2,22,29)(H,24,28)/t13-/m1/s1
InChIKeyAQUHSHSHGXQGLU-CYBMUJFWSA-N
XLogP0.72
TPSA143.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25097003
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 59332457
2-amino-N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;cyclopentane
CID 143665645
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332404
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 59332171
4-[[4-[[2-(4-aminopiperidin-1-yl)phenyl]carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-3-carboxylic acid
CID 24967759
N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098465
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332463
N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098037
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332076
N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-2-bromo-1,3-thiazole-4-carboxamide
CID 67269983
methyl 3-[[4-[[2-(4-aminopiperidin-1-yl)phenyl]carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate
CID 24965618

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (CID 71053466) is N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is NC(=O)C1(N)CCN(c2ccccc2NC(=O)c2csc(N3CC[C@@H](N)C3)n2)CC1.
What is the InChIKey of N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is AQUHSHSHGXQGLU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27N7O2S/c21-13-5-8-27(11-13)19-25-15(12-30-19)17(28)24-14-3-1-2-4-16(14)26-9-6-20(23,7-10-26)18(22)29/h1-4,12-13H,5-11,21,23H2,(H2,22,29)(H,24,28)/t13-/m1/s1.
What are the key properties of N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 0.72, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71053466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).