N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide

C16H24N4O2S — CID 75515831

IUPACN-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide
SMILESCCc1cnc(NC(=O)NC2(C(=O)NCC3CC3)CCCC2)s1
InChIInChI=1S/C16H24N4O2S/c1-2-12-10-18-15(23-12)19-14(22)20-16(7-3-4-8-16)13(21)17-9-11-5-6-11/h10-11H,2-9H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyMBAIJZYUYFDSLC-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.67
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide

N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide (PubChem CID 75515831) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide
PubChem CID75515831
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide
SMILESCCc1cnc(NC(=O)NC2(C(=O)NCC3CC3)CCCC2)s1
InChIInChI=1S/C16H24N4O2S/c1-2-12-10-18-15(23-12)19-14(22)20-16(7-3-4-8-16)13(21)17-9-11-5-6-11/h10-11H,2-9H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyMBAIJZYUYFDSLC-UHFFFAOYSA-N
XLogP2.67
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide (CID 75515831) is N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide is CCc1cnc(NC(=O)NC2(C(=O)NCC3CC3)CCCC2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide?
The InChIKey is MBAIJZYUYFDSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-2-12-10-18-15(23-12)19-14(22)20-16(7-3-4-8-16)13(21)17-9-11-5-6-11/h10-11H,2-9H2,1H3,(H,17,21)(H2,18,19,20,22).
What are the key properties of N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide?
N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 75515831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).