3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide

C12H19N5OS — CID 103380877

IUPAC3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)nsc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H19N5OS/c13-10-9(11(14)18)12(19-15-10)17-5-3-16(4-6-17)7-8-1-2-8/h8H,1-7H2,(H2,13,15)(H2,14,18)
InChIKeyMVOLBJWEVWWZMX-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.36
Rot. Bonds4

About 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide

3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide (PubChem CID 103380877) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide
PubChem CID103380877
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)nsc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H19N5OS/c13-10-9(11(14)18)12(19-15-10)17-5-3-16(4-6-17)7-8-1-2-8/h8H,1-7H2,(H2,13,15)(H2,14,18)
InChIKeyMVOLBJWEVWWZMX-UHFFFAOYSA-N
XLogP0.36
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380880
methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate
CID 103380879
5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide
CID 103381005
5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine
CID 103380881
3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380843
3-amino-N-cyclopropyl-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380799
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381010
4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide
CID 63356184
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026
3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103384890
3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381988
3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide
CID 103382179

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide (CID 103380877) is 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide is NC(=O)c1c(N)nsc1N1CCN(CC2CC2)CC1.
What is the InChIKey of 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is MVOLBJWEVWWZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c13-10-9(11(14)18)12(19-15-10)17-5-3-16(4-6-17)7-8-1-2-8/h8H,1-7H2,(H2,13,15)(H2,14,18).
What are the key properties of 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide?
3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).