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

C18H32N4O2S — CID 117092311

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(NC2CCC(O)CC2)s1)C(C)C
InChIInChI=1S/C18H32N4O2S/c1-12(2)22(13(3)4)10-9-19-17(24)16-11-20-18(25-16)21-14-5-7-15(23)8-6-14/h11-15,23H,5-10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyHICQZHWQJOGLOI-UHFFFAOYSA-N
MW368.55 g/mol
LogP2.71
Rot. Bonds8

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

N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 117092311) has the molecular formula C18H32N4O2S and a molecular weight of 368.55 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID117092311
Molecular FormulaC18H32N4O2S
Molecular Weight368.55 g/mol
Exact Mass368.22
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(NC2CCC(O)CC2)s1)C(C)C
InChIInChI=1S/C18H32N4O2S/c1-12(2)22(13(3)4)10-9-19-17(24)16-11-20-18(25-16)21-14-5-7-15(23)8-6-14/h11-15,23H,5-10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyHICQZHWQJOGLOI-UHFFFAOYSA-N
XLogP2.71
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide (CID 117092311) is N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide is CC(C)N(CCNC(=O)c1cnc(NC2CCC(O)CC2)s1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is HICQZHWQJOGLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2S/c1-12(2)22(13(3)4)10-9-19-17(24)16-11-20-18(25-16)21-14-5-7-15(23)8-6-14/h11-15,23H,5-10H2,1-4H3,(H,19,24)(H,20,21).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 368.55 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117092311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).