4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C14H17N5OS — CID 116669160

IUPAC4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C14H17N5OS/c15-12-11(21-14(19-12)18-10-4-1-5-10)13(20)17-8-9-3-2-6-16-7-9/h2-3,6-7,10H,1,4-5,8,15H2,(H,17,20)(H,18,19)
InChIKeyUJMMBWMFVTWLBQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.01
Rot. Bonds5

About 4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116669160) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID116669160
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C14H17N5OS/c15-12-11(21-14(19-12)18-10-4-1-5-10)13(20)17-8-9-3-2-6-16-7-9/h2-3,6-7,10H,1,4-5,8,15H2,(H,17,20)(H,18,19)
InChIKeyUJMMBWMFVTWLBQ-UHFFFAOYSA-N
XLogP2.01
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 116666657
4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 106898376
4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 116670620
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514
4-amino-2-(cyclobutylamino)-N-(2-cyclopropylpropyl)-1,3-thiazole-5-carboxamide
CID 116672854
4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174588
4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116669276
4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671641
4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116672432
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668483

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 116669160) is 4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Nc1nc(NC2CCC2)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UJMMBWMFVTWLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c15-12-11(21-14(19-12)18-10-4-1-5-10)13(20)17-8-9-3-2-6-16-7-9/h2-3,6-7,10H,1,4-5,8,15H2,(H,17,20)(H,18,19).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).