4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide

C19H26N4O2S — CID 18152915

IUPAC4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2s1
InChIInChI=1S/C19H26N4O2S/c1-13-21-16-10-9-15(12-17(16)26-13)22-18(24)8-5-11-20-19(25)23-14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3,(H,22,24)(H2,20,23,25)
InChIKeySRBZDZGULMEWIF-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.96
Rot. Bonds6

About 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide

4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide (PubChem CID 18152915) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
PubChem CID18152915
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2s1
InChIInChI=1S/C19H26N4O2S/c1-13-21-16-10-9-15(12-17(16)26-13)22-18(24)8-5-11-20-19(25)23-14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3,(H,22,24)(H2,20,23,25)
InChIKeySRBZDZGULMEWIF-UHFFFAOYSA-N
XLogP3.96
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 86921824
2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60848317
4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
N-(1,3-benzothiazol-2-yl)-4-(cyclohexylcarbamoylamino)butanamide
CID 16614965
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
3-[6-(cyclohexylcarbamoylamino)hexanoylamino]benzoic acid
CID 119219607
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 18225712
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64617382

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide (CID 18152915) is 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide is Cc1nc2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2s1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide?
The InChIKey is SRBZDZGULMEWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13-21-16-10-9-15(12-17(16)26-13)22-18(24)8-5-11-20-19(25)23-14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3,(H,22,24)(H2,20,23,25).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide?
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide has a molecular weight of 374.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide is sourced from PubChem (CID 18152915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).