N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide

C17H26N2OS — CID 59866199

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)C2CCC2)n1CC1CC1
InChIInChI=1S/C17H26N2OS/c1-11-14(17(2,3)4)21-16(19(11)10-12-8-9-12)18-15(20)13-6-5-7-13/h12-13H,5-10H2,1-4H3/b18-16-
InChIKeyYFZQDPSUGQQVIF-VLGSPTGOSA-N
MW306.48 g/mol
LogP3.79
Rot. Bonds3

About N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide (PubChem CID 59866199) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide
PubChem CID59866199
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)C2CCC2)n1CC1CC1
InChIInChI=1S/C17H26N2OS/c1-11-14(17(2,3)4)21-16(19(11)10-12-8-9-12)18-15(20)13-6-5-7-13/h12-13H,5-10H2,1-4H3/b18-16-
InChIKeyYFZQDPSUGQQVIF-VLGSPTGOSA-N
XLogP3.79
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide (CID 59866199) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide is Cc1c(C(C)(C)C)s/c(=N\C(=O)C2CCC2)n1CC1CC1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide?
The InChIKey is YFZQDPSUGQQVIF-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-11-14(17(2,3)4)21-16(19(11)10-12-8-9-12)18-15(20)13-6-5-7-13/h12-13H,5-10H2,1-4H3/b18-16-.
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide has a molecular weight of 306.48 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]cyclobutanecarboxamide is sourced from PubChem (CID 59866199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).