N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide

C12H19N5O2S — CID 47073429

IUPACN-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
SMILESCc1csc(N2CCCN(CC(=O)NC(N)=O)CC2)n1
InChIInChI=1S/C12H19N5O2S/c1-9-8-20-12(14-9)17-4-2-3-16(5-6-17)7-10(18)15-11(13)19/h8H,2-7H2,1H3,(H3,13,15,18,19)
InChIKeyCTSGPBQQJBDCBJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.16
Rot. Bonds3

About N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide

N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide (PubChem CID 47073429) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
PubChem CID47073429
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
SMILESCc1csc(N2CCCN(CC(=O)NC(N)=O)CC2)n1
InChIInChI=1S/C12H19N5O2S/c1-9-8-20-12(14-9)17-4-2-3-16(5-6-17)7-10(18)15-11(13)19/h8H,2-7H2,1H3,(H3,13,15,18,19)
InChIKeyCTSGPBQQJBDCBJ-UHFFFAOYSA-N
XLogP0.16
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 47073428
4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide
CID 47542959
N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 86842773
2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60504165
N-(1-ethylpiperidin-4-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 86993362
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 47542871
2-methyl-3-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870262
2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 78881717
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
CID 47543592
[3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]oxetan-3-yl]methanol
CID 97030483
2-[4-(4-chloro-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 83152482

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide (CID 47073429) is N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide is Cc1csc(N2CCCN(CC(=O)NC(N)=O)CC2)n1.
What is the InChIKey of N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is CTSGPBQQJBDCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-9-8-20-12(14-9)17-4-2-3-16(5-6-17)7-10(18)15-11(13)19/h8H,2-7H2,1H3,(H3,13,15,18,19).
What are the key properties of N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide?
N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 47073429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).