(2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide

C15H17N7O3S — CID 10199466

IUPAC(2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)Nc1sc(-c2cnc(N3CCC[C@H]3C(N)=O)nc2)cc1C(N)=O
InChIInChI=1S/C15H17N7O3S/c16-11(23)8-4-10(26-13(8)21-14(18)25)7-5-19-15(20-6-7)22-3-1-2-9(22)12(17)24/h4-6,9H,1-3H2,(H2,16,23)(H2,17,24)(H3,18,21,25)/t9-/m0/s1
InChIKeyDEAAZIHXZABWIK-VIFPVBQESA-N
MW375.41 g/mol
LogP0.25
Rot. Bonds5

About (2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide

(2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 10199466) has the molecular formula C15H17N7O3S and a molecular weight of 375.41 g/mol. Its IUPAC name is (2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID10199466
Molecular FormulaC15H17N7O3S
Molecular Weight375.41 g/mol
Exact Mass375.11
IUPAC Name(2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)Nc1sc(-c2cnc(N3CCC[C@H]3C(N)=O)nc2)cc1C(N)=O
InChIInChI=1S/C15H17N7O3S/c16-11(23)8-4-10(26-13(8)21-14(18)25)7-5-19-15(20-6-7)22-3-1-2-9(22)12(17)24/h4-6,9H,1-3H2,(H2,16,23)(H2,17,24)(H3,18,21,25)/t9-/m0/s1
InChIKeyDEAAZIHXZABWIK-VIFPVBQESA-N
XLogP0.25
TPSA170.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27452148
5-amino-2-(2-carbamoylpiperidin-1-yl)pyridine-4-carboxamide
CID 114090230
2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 67077304
2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide
CID 67078144
2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid
CID 69486387
N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16828821
2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide
CID 67214997
2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
2-(carbamoylamino)-5-(3-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 44560523
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
1-(6-amino-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43212069
(1-carbamoylpiperidin-3-yl) 2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxylate
CID 91195730

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 10199466) is (2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide is NC(=O)Nc1sc(-c2cnc(N3CCC[C@H]3C(N)=O)nc2)cc1C(N)=O.
What is the InChIKey of (2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is DEAAZIHXZABWIK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17N7O3S/c16-11(23)8-4-10(26-13(8)21-14(18)25)7-5-19-15(20-6-7)22-3-1-2-9(22)12(17)24/h4-6,9H,1-3H2,(H2,16,23)(H2,17,24)(H3,18,21,25)/t9-/m0/s1.
What are the key properties of (2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10199466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).