N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide

C16H24N6OS — CID 117092128

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(Nc2ncccn2)s1)C(C)C
InChIInChI=1S/C16H24N6OS/c1-11(2)22(12(3)4)9-8-17-14(23)13-10-20-16(24-13)21-15-18-6-5-7-19-15/h5-7,10-12H,8-9H2,1-4H3,(H,17,23)(H,18,19,20,21)
InChIKeyJZTJKLJZHQYNOC-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.53
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117092128) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID117092128
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(Nc2ncccn2)s1)C(C)C
InChIInChI=1S/C16H24N6OS/c1-11(2)22(12(3)4)9-8-17-14(23)13-10-20-16(24-13)21-15-18-6-5-7-19-15/h5-7,10-12H,8-9H2,1-4H3,(H,17,23)(H,18,19,20,21)
InChIKeyJZTJKLJZHQYNOC-UHFFFAOYSA-N
XLogP2.53
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-(4-Acetylpiperazin-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 21934688
3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 45822006
4-methyl-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 45823143
2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47211459
4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47284373
4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47369952
2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47886341
3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 48504780
2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49028095
2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49385475
4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 51081167
N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084882

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide (CID 117092128) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)N(CCNC(=O)c1cnc(Nc2ncccn2)s1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is JZTJKLJZHQYNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-11(2)22(12(3)4)9-8-17-14(23)13-10-20-16(24-13)21-15-18-6-5-7-19-15/h5-7,10-12H,8-9H2,1-4H3,(H,17,23)(H,18,19,20,21).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 348.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117092128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).