N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide

C16H24N6OS — CID 117094363

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(Nc2ccncn2)s1)C(C)C
InChIInChI=1S/C16H24N6OS/c1-11(2)22(12(3)4)8-7-18-15(23)13-9-19-16(24-13)21-14-5-6-17-10-20-14/h5-6,9-12H,7-8H2,1-4H3,(H,18,23)(H,17,19,20,21)
InChIKeyWADBOKASECSXPX-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.53
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117094363) 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-4-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID117094363
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(Nc2ccncn2)s1)C(C)C
InChIInChI=1S/C16H24N6OS/c1-11(2)22(12(3)4)8-7-18-15(23)13-9-19-16(24-13)21-14-5-6-17-10-20-14/h5-6,9-12H,7-8H2,1-4H3,(H,18,23)(H,17,19,20,21)
InChIKeyWADBOKASECSXPX-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

Analyze N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (CID 117094363) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide is CC(C)N(CCNC(=O)c1cnc(Nc2ccncn2)s1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is WADBOKASECSXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-11(2)22(12(3)4)8-7-18-15(23)13-9-19-16(24-13)21-14-5-6-17-10-20-14/h5-6,9-12H,7-8H2,1-4H3,(H,18,23)(H,17,19,20,21).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-4-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-4-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117094363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).