2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide

C14H22N4OS — CID 118795603

IUPAC2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NCC2CCN(CC3CC3)CC2)cs1
InChIInChI=1S/C14H22N4OS/c15-14-17-12(9-20-14)13(19)16-7-10-3-5-18(6-4-10)8-11-1-2-11/h9-11H,1-8H2,(H2,15,17)(H,16,19)
InChIKeyALSHHRJFDZTMIB-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.58
Rot. Bonds5

About 2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide

2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 118795603) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID118795603
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NCC2CCN(CC3CC3)CC2)cs1
InChIInChI=1S/C14H22N4OS/c15-14-17-12(9-20-14)13(19)16-7-10-3-5-18(6-4-10)8-11-1-2-11/h9-11H,1-8H2,(H2,15,17)(H,16,19)
InChIKeyALSHHRJFDZTMIB-UHFFFAOYSA-N
XLogP1.58
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 63243415
2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 107413079
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62789140
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119854229
2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 62787661
2-(2-aminoethyl)-N-[(1-benzylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645364
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119865544
2-amino-N-(2-cyclopentyloxyethyl)-1,3-thiazole-4-carboxamide
CID 63826341
2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 146078617
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
2-(1-methylpyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 51101862

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 118795603) is 2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)NCC2CCN(CC3CC3)CC2)cs1.
What is the InChIKey of 2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ALSHHRJFDZTMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c15-14-17-12(9-20-14)13(19)16-7-10-3-5-18(6-4-10)8-11-1-2-11/h9-11H,1-8H2,(H2,15,17)(H,16,19).
What are the key properties of 2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118795603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).