1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide

C9H13N3OS — CID 103814757

IUPAC1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2(N)CC2)s1
InChIInChI=1S/C9H13N3OS/c1-6-4-11-7(14-6)5-12-8(13)9(10)2-3-9/h4H,2-3,5,10H2,1H3,(H,12,13)
InChIKeyIVNUGSPPDQZDQE-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.56
Rot. Bonds3

About 1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide

1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 103814757) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID103814757
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2(N)CC2)s1
InChIInChI=1S/C9H13N3OS/c1-6-4-11-7(14-6)5-12-8(13)9(10)2-3-9/h4H,2-3,5,10H2,1H3,(H,12,13)
InChIKeyIVNUGSPPDQZDQE-UHFFFAOYSA-N
XLogP0.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814785
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
1-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113241733
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621
1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 130678537
1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 103755577
3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814782
1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 103697870
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814822
3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814773

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 103814757) is 1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide is Cc1cnc(CNC(=O)C2(N)CC2)s1.
What is the InChIKey of 1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is IVNUGSPPDQZDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-4-11-7(14-6)5-12-8(13)9(10)2-3-9/h4H,2-3,5,10H2,1H3,(H,12,13).
What are the key properties of 1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide?
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 103814757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).