2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

C19H22ClN3O2S — CID 122061500

IUPAC2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(Nc2nc(-c3ccccc3Cl)cs2)C1
InChIInChI=1S/C19H22ClN3O2S/c20-16-4-2-1-3-15(16)17-11-26-19(22-17)21-13-7-14(8-13)23(10-18(24)25)9-12-5-6-12/h1-4,11-14H,5-10H2,(H,21,22)(H,24,25)
InChIKeyDROSHCXIPNWXRR-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.20
Rot. Bonds8

About 2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 122061500) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID122061500
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(Nc2nc(-c3ccccc3Cl)cs2)C1
InChIInChI=1S/C19H22ClN3O2S/c20-16-4-2-1-3-15(16)17-11-26-19(22-17)21-13-7-14(8-13)23(10-18(24)25)9-12-5-6-12/h1-4,11-14H,5-10H2,(H,21,22)(H,24,25)
InChIKeyDROSHCXIPNWXRR-UHFFFAOYSA-N
XLogP4.20
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid with MolForge

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Related Compounds

2-[cyclopropylmethyl-[3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]amino]acetic acid
CID 122061323
2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid
CID 122061367
2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 122061370
2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid
CID 122041364
2-[cyclopropylmethyl-[3-[(4,6-dimethoxypyrimidin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 122061350
2-[cyclopropylmethyl-[3-[(2-cyclopropylpyrimidin-4-yl)amino]cyclobutyl]amino]acetic acid
CID 122061395
2-[[3-[(5-bromo-3-chloro-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122061517
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid
CID 122041559
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015753
[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid
CID 175396592
2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041267

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (CID 122061500) is 2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(Nc2nc(-c3ccccc3Cl)cs2)C1.
What is the InChIKey of 2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is DROSHCXIPNWXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-16-4-2-1-3-15(16)17-11-26-19(22-17)21-13-7-14(8-13)23(10-18(24)25)9-12-5-6-12/h1-4,11-14H,5-10H2,(H,21,22)(H,24,25).
What are the key properties of 2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 391.92 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 122061500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).