4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde

C10H13ClN2OS — CID 80688362

IUPAC4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCC1CC1CN(C)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H13ClN2OS/c1-6-3-7(6)4-13(2)10-12-9(11)8(5-14)15-10/h5-7H,3-4H2,1-2H3
InChIKeyYCMFMFCPZYVMAW-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.70
Rot. Bonds4

About 4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde

4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 80688362) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
PubChem CID80688362
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCC1CC1CN(C)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H13ClN2OS/c1-6-3-7(6)4-13(2)10-12-9(11)8(5-14)15-10/h5-7H,3-4H2,1-2H3
InChIKeyYCMFMFCPZYVMAW-UHFFFAOYSA-N
XLogP2.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 63864928
4-chloro-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687155
2-[bis(2-chloroethyl)amino]-4-chloro-1,3-thiazole-5-carbaldehyde
CID 155815840
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687787
4-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 79399676
2-[(3-bromophenyl)methyl-methylamino]-4-chloro-1,3-thiazole-5-carbaldehyde
CID 80688068
4-chloro-2-[(1,1-dioxothiolan-3-yl)-methylamino]-1,3-thiazole-5-carbaldehyde
CID 80687059
methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 115424580
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 63864932
4-chloro-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687339
5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393376
6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 63860494

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde (CID 80688362) is 4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde is CC1CC1CN(C)c1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is YCMFMFCPZYVMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-6-3-7(6)4-13(2)10-12-9(11)8(5-14)15-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 244.75 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80688362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).