N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide

C18H25N5O2S — CID 146129698

IUPACN-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide
SMILESCO[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C18H25N5O2S/c1-25-15-5-3-2-4-14(15)21-18(24)23-9-7-22(8-10-23)16-13-6-11-26-17(13)20-12-19-16/h6,11-12,14-15H,2-5,7-10H2,1H3,(H,21,24)/t14-,15-/m0/s1
InChIKeyIWCRLECULLVUGU-GJZGRUSLSA-N
MW375.50 g/mol
LogP2.48
Rot. Bonds3

About N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide

N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide (PubChem CID 146129698) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide
PubChem CID146129698
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide
SMILESCO[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C18H25N5O2S/c1-25-15-5-3-2-4-14(15)21-18(24)23-9-7-22(8-10-23)16-13-6-11-26-17(13)20-12-19-16/h6,11-12,14-15H,2-5,7-10H2,1H3,(H,21,24)/t14-,15-/m0/s1
InChIKeyIWCRLECULLVUGU-GJZGRUSLSA-N
XLogP2.48
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
2-cyclopropyl-2-methoxy-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 136538650
N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
CID 139021545
(4-bromo-3,5-dimethoxyphenyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112813421
2-cyclobutyl-2-hydroxy-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 139008779
(4-cyclopentyloxy-3-methoxyphenyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112839822
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603
N-[(5-methylfuran-2-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide
CID 138030871
2-methoxy-2-methyl-3-oxo-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanoic acid
CID 136552694
(3-aminocyclopentyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842588
(3-aminocyclohexyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119842591
4-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)amino]butanoic acid
CID 122021678

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide (CID 146129698) is N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide is CO[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide?
The InChIKey is IWCRLECULLVUGU-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-25-15-5-3-2-4-14(15)21-18(24)23-9-7-22(8-10-23)16-13-6-11-26-17(13)20-12-19-16/h6,11-12,14-15H,2-5,7-10H2,1H3,(H,21,24)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide?
N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 146129698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).