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

C14H19N5OS — CID 116668709

IUPAC4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)NCc2ccccn2)s1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)19-13-18-11(15)10(21-13)12(20)17-8-9-6-4-5-7-16-9/h4-7H,8,15H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyLADIFUXUJYYVAX-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.26
Rot. Bonds4

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

4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116668709) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID116668709
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)NCc2ccccn2)s1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)19-13-18-11(15)10(21-13)12(20)17-8-9-6-4-5-7-16-9/h4-7H,8,15H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyLADIFUXUJYYVAX-UHFFFAOYSA-N
XLogP2.26
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668712
4-amino-2-(tert-butylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665116
4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669038
4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668999
2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307055
4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666516
4-amino-2-(tert-butylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174586
2-(2-methoxyethylamino)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048761
4-amino-2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116672026
4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116665457
4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666104
4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670296

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 116668709) is 4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is CC(C)(C)Nc1nc(N)c(C(=O)NCc2ccccn2)s1.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LADIFUXUJYYVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-14(2,3)19-13-18-11(15)10(21-13)12(20)17-8-9-6-4-5-7-16-9/h4-7H,8,15H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).